Isopropyl 2-methylbutanoate
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Isopropyl 2-methylbutanoate
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CAS No:
66576-71-4
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Formula:
C8H16O2
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Chemical Name:
Isopropyl 2-methylbutanoate
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Synonyms:
Butanoic acid,2-methyl-,1-methylethyl ester;Isopropyl 2-methylbutanoate;2-Methylbutanoic acid 1-methylethyl ester;Isopropyl 2-methylbutyrate;1-Methylethyl 2-methylbutanoate
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CAS No:
Description
Isopropyl 2-methylbutyrate has a fruity, sweet, green, oily, ethereal, tropical odor with a pineapple nuance.
colourless liquid
Isopropyl 2-methylbutanoate is a fatty acid ester.
Characteristics
26.3
1.98410
0.874g/cm3
140-144 °C727 mm Hg(lit.)
90 °F
1.409
412.1 mg/L @ 25 °C (est)|insoluble in water|soluble (in ethanol)
Safety Information
III
3.2
UN 3272 3/PG 3
3
10
24/25
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (99.94%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1700 companies from 3 notifications to the ECHA C&L Inventory.
Isopropyl 2-methylbutanoate Use and Manufacturing
GB 2760-1997 stipulates the permitted food spices. Mainly used to prepare various fruits and tropical fruit flavors such as pineapple.
Odor agents
Air care products
Soap, cleaning compound, and toilet preparation manufacturing|Butanoic acid, 2-methyl-, 1-methylethyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:144.21
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:108
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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